2-azanyl-3-[3-(2-azanyl-4-methylsulfanyl-butanoyl)-4-(3-methylbutanoyl)-2-sulfanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-4-methylsulfanyl-butanoyl)-4-(3-methylbutanoyl)-2-sulfanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-4-methylsulfanyl-butanoyl)-4-(3-methylbutanoyl)-2-sulfanyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3-[2-amino-4-(methylthio)-1-oxobutyl]-2-mercapto-4-(3-methyl-1-oxobutyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-4-methylsulfanylbutanoyl)-4-(3-methylbutanoyl)-2-sulfanylphenyl]propanoic acid Traditional Name: 2-amino-3-[3-[2-amino-4-(methylthio)butanoyl]-4-isovaleryl-2-mercapto-phenyl]propionic acid Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)CC(C(=O)O)N)S)C(=O)C(CCSC)N

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)CC(C(=O)O)N)S)C(=O)C(CCSC)N

InChI

InChI=1S/C19H28N2O4S2/c1-10(2)8-15(22)12-5-4-11(9-14(21)19(24)25)18(26)16(12)17(23)13(20)6-7-27-3/h4-5,10,13-14,26H,6-9,20-21H2,1-3H3,(H,24,25)